N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine

C9H11N5 — CID 921948

IUPACN-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine
SMILESCN(C)/N=N/c1ccc2nc[nH]c2c1
InChIInChI=1S/C9H11N5/c1-14(2)13-12-7-3-4-8-9(5-7)11-6-10-8/h3-6H,1-2H3,(H,10,11)/b13-12+
InChIKeyJIWVDIFFDXRHMX-OUKQBFOZSA-N
MW189.22 g/mol
LogP2.12
Rot. Bonds2

About N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine

N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine (PubChem CID 921948) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine
PubChem CID921948
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine
SMILESCN(C)/N=N/c1ccc2nc[nH]c2c1
InChIInChI=1S/C9H11N5/c1-14(2)13-12-7-3-4-8-9(5-7)11-6-10-8/h3-6H,1-2H3,(H,10,11)/b13-12+
InChIKeyJIWVDIFFDXRHMX-OUKQBFOZSA-N
XLogP2.12
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine?
The IUPAC name of N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine (CID 921948) is N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine.
What is the SMILES notation for N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine?
The canonical SMILES for N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine is CN(C)/N=N/c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine?
The InChIKey is JIWVDIFFDXRHMX-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H11N5/c1-14(2)13-12-7-3-4-8-9(5-7)11-6-10-8/h3-6H,1-2H3,(H,10,11)/b13-12+.
What are the key properties of N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine?
N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine has a molecular weight of 189.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yldiazenyl)-N-methylmethanamine is sourced from PubChem (CID 921948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).